CID 17931405

Azetidine-3-carboxamide hydrochloride

Structural Information

Molecular Formula
C4H8N2O
SMILES
C1C(CN1)C(=O)N
InChI
InChI=1S/C4H8N2O/c5-4(7)3-1-6-2-3/h3,6H,1-2H2,(H2,5,7)
InChIKey
VALZSZJVEFACEZ-UHFFFAOYSA-N
Compound name
azetidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1126
Patents

100.06366 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.070936 120.8
[M+Na]+ 123.052878 125.7
[M-H]- 99.056384 121.0
[M+NH4]+ 118.097483 134.6
[M+K]+ 139.026818 127.9
[M+H-H2O]+ 83.060920 109.7
[M+HCOO]- 145.061861 140.4
[M+CH3COO]- 159.077511 168.9
[M+Na-2H]- 121.038326 125.7
[M]+ 100.06311142 123.9
[M]- 100.06420858 123.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe